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BDBM50006738 CHEMBL3236279

SMILES: CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O

InChI Key: InChIKey=NYHBABQACSQNQQ-LMFUHLDESA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50006738   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))		BDBM50006738
PNG
(CHEMBL3236279)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C70H108N16O29/c1-29(2)20-40(61(106)73-33(8)59(104)84-48(28-87)56(71)101)83-70(115)55(36(11)89)86-68(113)47(27-53(99)100)82-63(108)41(21-30(3)4)77-57(102)32(7)72-60(105)39(18-19-49(91)92)76-62(107)42(22-31(5)6)79-66(111)46(26-52(97)98)81-65(110)45(25-51(95)96)78-58(103)34(9)74-69(114)54(35(10)88)85-67(112)43(23-38-16-14-13-15-17-38)80-64(109)44(24-50(93)94)75-37(12)90/h13-17,29-36,39-48,54-55,87-89H,18-28H2,1-12H3,(H2,71,101)(H,72,105)(H,73,106)(H,74,114)(H,75,90)(H,76,107)(H,77,102)(H,78,103)(H,79,111)(H,80,109)(H,81,110)(H,82,108)(H,83,115)(H,84,104)(H,85,112)(H,86,113)(H,91,92)(H,93,94)(H,95,96)(H,97,98)(H,99,100)/t32-,33-,34-,35+,36+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,54-,55-/m0/s1
PDB

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Similars
Article
PubMed
n/an/an/a 1.67E+5n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human RPA70 N-terminal domain (1 to 120 amino acids) expressed in Escherichia coli BL21-DE3 by fluorescence polarizat...

J Med Chem 57: 2455-61 (2014)


Article DOI: 10.1021/jm401730y
BindingDB Entry DOI: 10.7270/Q29888H7
More data for this
Ligand-Target Pair